SCHEMBL13409378

SCHEMBL13409378

COc1ccc2c(OC(C)C)nc(-c3cccc(N(C)C)c3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
ACP1 P24666 2/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NQO2 P16083 1/20 0.37
BTK Q06187 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PTGDR Q13258 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12335705 0.89 ACP1 (0.44) ACP1MTNR1AMTNR1BKDM4ESMN1; SMN2
SCHEMBL13409339 0.87 APP (0.44) MAPTATMACP1KDM4EALDH1A1
SCHEMBL13409376 0.84 MAPT (0.55) MAPTATMACP1KDM4ESMN1; SMN2
SCHEMBL8353285 0.81 ACP1 (0.43) MAPTATMACP1MTNR1AMTNR1B
SCHEMBL1536661 0.81 ACP1 (0.43) ACP1MTNR1AMTNR1BKDM4ESMN1; SMN2
SCHEMBL1536561 0.81 ACP1 (0.43) ACP1MTNR1AMTNR1BKDM4ESMN1; SMN2
SCHEMBL13409348 0.79 NPC1 (0.58) MAPTATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13409379 0.78 PDGFRB (0.43) MAPTATMACP1KDM4ESMN1; SMN2
SCHEMBL13409338 0.78 MAPT (0.41) MAPTATMACP1KDM4ESMN1; SMN2
SCHEMBL13409345 0.77 MAPT (0.42) MAPTATMACP1KDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed